CID 3071012

1-(2-phenoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate

Structural Information

Molecular Formula
C21H26N4O
SMILES
CN1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4
InChI
InChI=1S/C21H26N4O/c1-23-12-7-13-24(15-14-23)21-22-19-10-5-6-11-20(19)25(21)16-17-26-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKey
OHSCOSNBRQNOCI-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,4-diazepan-1-yl)-1-(2-phenoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

350.21066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21794 188.4
[M+Na]+ 373.19988 201.2
[M+NH4]+ 368.24448 195.0
[M+K]+ 389.17382 195.5
[M-H]- 349.20338 192.5
[M+Na-2H]- 371.18533 196.0
[M]+ 350.21011 191.5
[M]- 350.21121 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe